2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol

C22H27NO — CID 57485515

IUPAC2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESOc1ccccc1C12CCCC(C1)N(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO/c24-21-11-5-4-10-20(21)22-13-6-9-19(17-22)23(16-14-22)15-12-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,24H,6,9,12-17H2
InChIKeyKCWJAGGCRPWUGH-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.52
Rot. Bonds4

About 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol

2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol (PubChem CID 57485515) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
PubChem CID57485515
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESOc1ccccc1C12CCCC(C1)N(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO/c24-21-11-5-4-10-20(21)22-13-6-9-19(17-22)23(16-14-22)15-12-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,24H,6,9,12-17H2
InChIKeyKCWJAGGCRPWUGH-UHFFFAOYSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S,5R)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 46877850
ethene;3-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 170752331
but-1-ene;3-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 170752361
3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide
CID 71396949
(1R,8R,10S,11S)-12-(2-phenylethyl)-12-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-triene-6,8-diol
CID 71541564
(1S,9R,12R)-13-(2-phenylethyl)-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-6-amine
CID 25180470
3-[(1R,2S,7R,9R)-12-(2-phenylethyl)-12-azatricyclo[7.3.1.02,7]tridecan-9-yl]phenol
CID 73356767
3-[8-(hydroxymethyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 139511644
oxalic acid;6-phenyl-2-propyl-2-azabicyclo[4.2.1]nonane
CID 12827412
2-methoxy-N-[3-[2-[2-(2-phenylethoxy)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]ethanesulfonamide
CID 91201439
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The IUPAC name of 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol (CID 57485515) is 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol.
What is the SMILES notation for 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The canonical SMILES for 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol is Oc1ccccc1C12CCCC(C1)N(CCc1ccccc1)CC2.
What is the InChIKey of 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The InChIKey is KCWJAGGCRPWUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-21-11-5-4-10-20(21)22-13-6-9-19(17-22)23(16-14-22)15-12-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,24H,6,9,12-17H2.
What are the key properties of 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol has a molecular weight of 321.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol is sourced from PubChem (CID 57485515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).